[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol

C19H26N2O — CID 46982227

IUPAC[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol
SMILESCCN(Cc1ccncc1)Cc1c(C)cc(C)c(CO)c1C
InChIInChI=1S/C19H26N2O/c1-5-21(11-17-6-8-20-9-7-17)12-18-14(2)10-15(3)19(13-22)16(18)4/h6-10,22H,5,11-13H2,1-4H3
InChIKeyWPBPTBZHCAREBL-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.52
Rot. Bonds6

About [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol

[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol (PubChem CID 46982227) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol.

Molecular Properties

Compound Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol
PubChem CID46982227
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC Name[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol
SMILESCCN(Cc1ccncc1)Cc1c(C)cc(C)c(CO)c1C
InChIInChI=1S/C19H26N2O/c1-5-21(11-17-6-8-20-9-7-17)12-18-14(2)10-15(3)19(13-22)16(18)4/h6-10,22H,5,11-13H2,1-4H3
InChIKeyWPBPTBZHCAREBL-UHFFFAOYSA-N
XLogP3.52
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol with MolForge

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Related Compounds

4-[[2,4,6-trimethyl-3-(pyridin-4-ylmethyl)phenyl]methyl]pyridine
CID 118040317
N-[(2-chloro-4-pyridinyl)methyl]-N-(pyridin-4-ylmethyl)ethanamine
CID 62470558
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylbutan-2-ol
CID 114495467
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
N-ethyl-3-iodo-N-(pyridin-4-ylmethyl)propan-1-amine
CID 142257786
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
1-[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-4-hydroxyphenyl]ethanone
CID 62052107
6-[ethyl(pyridin-4-ylmethyl)amino]hexan-3-one
CID 106801340
4-chloro-3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 61450760
3-[ethyl(pyridin-4-ylmethyl)amino]propanehydrazide
CID 63584520
4-chloro-2-[[ethyl(pyridin-4-ylmethyl)amino]methyl]aniline
CID 79583108
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61449476

Frequently Asked Questions

What is the IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol?
The IUPAC name of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol (CID 46982227) is [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol.
What is the SMILES notation for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol?
The canonical SMILES for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol is CCN(Cc1ccncc1)Cc1c(C)cc(C)c(CO)c1C.
What is the InChIKey of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol?
The InChIKey is WPBPTBZHCAREBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c1-5-21(11-17-6-8-20-9-7-17)12-18-14(2)10-15(3)19(13-22)16(18)4/h6-10,22H,5,11-13H2,1-4H3.
What are the key properties of [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol?
[3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol has a molecular weight of 298.43 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[ethyl(pyridin-4-ylmethyl)amino]methyl]-2,4,6-trimethylphenyl]methanol is sourced from PubChem (CID 46982227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).